4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide

C67H88ClF8I3N18O7Si4V10 — CID 159490770

About 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide

4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide (PubChem CID 159490770) has the molecular formula C67H88ClF8I3N18O7Si4V10 and a molecular weight of 2447.49 g/mol. Its IUPAC name is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide.

Molecular Properties

• Compound Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide
• PubChem CID: 159490770
• Molecular Formula: C67H88ClF8I3N18O7Si4V10
• Molecular Weight: 2447.49 g/mol
• Exact Mass: 2445.73
• IUPAC Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide
• SMILES: CCOC(=O)C(F)(F)[Si](C)(C)C.CCOC(=O)C(F)(F)c1ncnc2c1ccn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1ccc2c(C(F)F)ncnc21.C[Si](C)(C)CCOCn1ccc2c(I)ncnc21.Clc1ncnc2[nH]ccc12.FC(F)c1ncnc2[nH]ccc12.I.Ic1ncnc2[nH]ccc12.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V]
• InChI: InChI=1S/C16H23F2N3O3Si.C13H19F2N3OSi.C12H18IN3OSi.C7H5F2N3.C7H14F2O2Si.C6H4ClN3.C6H4IN3.HI.10V/c1-5-24-15(22)16(17,18)13-12-6-7-21(14(12)20-10-19-13)11-23-8-9-25(2,3)4;1-20(2,3)7-6-19-9-18-5-4-10-11(12(14)15)16-8-17-13(10)18;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;8-6(9)5-4-1-2-10-7(4)12-3-11-5;1-5-11-6(10)7(8,9)12(2,3)4;2*7-5-4-1-2-8-6(4)10-3-9-5;;;;;;;;;;;/h6-7,10H,5,8-9,11H2,1-4H3;4-5,8,12H,6-7,9H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;1-3,6H,(H,10,11,12);5H2,1-4H3;2*1-3H,(H,8,9,10);1H
• InChIKey: OHBOWRDCYCEACZ-UHFFFAOYSA-N
• XLogP: 18.15
• TPSA: 297.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2447.49
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide?

The IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide (CID 159490770) is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide.

What is the SMILES notation for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide?

The canonical SMILES for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide is CCOC(=O)C(F)(F)[Si](C)(C)C.CCOC(=O)C(F)(F)c1ncnc2c1ccn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1ccc2c(C(F)F)ncnc21.C[Si](C)(C)CCOCn1ccc2c(I)ncnc21.Clc1ncnc2[nH]ccc12.FC(F)c1ncnc2[nH]ccc12.I.Ic1ncnc2[nH]ccc12.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].

What is the InChIKey of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide?

The InChIKey is OHBOWRDCYCEACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3Si.C13H19F2N3OSi.C12H18IN3OSi.C7H5F2N3.C7H14F2O2Si.C6H4ClN3.C6H4IN3.HI.10V/c1-5-24-15(22)16(17,18)13-12-6-7-21(14(12)20-10-19-13)11-23-8-9-25(2,3)4;1-20(2,3)7-6-19-9-18-5-4-10-11(12(14)15)16-8-17-13(10)18;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;8-6(9)5-4-1-2-10-7(4)12-3-11-5;1-5-11-6(10)7(8,9)12(2,3)4;2*7-5-4-1-2-8-6(4)10-3-9-5;;;;;;;;;;;/h6-7,10H,5,8-9,11H2,1-4H3;4-5,8,12H,6-7,9H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;1-3,6H,(H,10,11,12);5H2,1-4H3;2*1-3H,(H,8,9,10);1H;;;;;;;;;;.

What are the key properties of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide?

4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide has a molecular weight of 2447.49 g/mol, XLogP of 18.15, 23 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-(difluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[4-(difluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethyl 2,2-difluoro-2-trimethylsilylacetate;ethyl 2,2-difluoro-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetate;4-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;decakis(vanadium);hydroiodide is sourced from PubChem (CID 159490770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).